2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one

C19H20FN5O — CID 126934861

IUPAC2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C19H20FN5O/c1-12-2-9-18(26)25(24-12)15-6-4-14(5-7-15)23-19-16-10-13(20)3-8-17(16)21-11-22-19/h2-3,8-11,14-15H,4-7H2,1H3,(H,21,22,23)
InChIKeyVEOWBDDGKQFDBD-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.23
Rot. Bonds3

About 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one

2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one (PubChem CID 126934861) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
PubChem CID126934861
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(Nc3ncnc4ccc(F)cc34)CC2)n1
InChIInChI=1S/C19H20FN5O/c1-12-2-9-18(26)25(24-12)15-6-4-14(5-7-15)23-19-16-10-13(20)3-8-17(16)21-11-22-19/h2-3,8-11,14-15H,4-7H2,1H3,(H,21,22,23)
InChIKeyVEOWBDDGKQFDBD-UHFFFAOYSA-N
XLogP3.23
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934512
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoroquinazolin-4-amine
CID 86305598
N-[4-(3-fluoroazetidin-1-yl)cyclohexyl]-6-methylquinazolin-4-amine
CID 121255023
6-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]quinazolin-4-amine
CID 136539907
6-methyl-2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934706
6-fluoro-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]quinazolin-4-amine
CID 126853599
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[(6-fluoroquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 90446084
N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-6-fluoroquinazolin-4-amine
CID 171358732
6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
CID 126934688
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one (CID 126934861) is 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(C2CCC(Nc3ncnc4ccc(F)cc34)CC2)n1.
What is the InChIKey of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one?
The InChIKey is VEOWBDDGKQFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-2-9-18(26)25(24-12)15-6-4-14(5-7-15)23-19-16-10-13(20)3-8-17(16)21-11-22-19/h2-3,8-11,14-15H,4-7H2,1H3,(H,21,22,23).
What are the key properties of 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one?
2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one has a molecular weight of 353.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-fluoroquinazolin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126934861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).